3,6-Dimethyl-1,3-benzothiazol-3-ium iodide
TL;DR: 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide (CAS 89059-12-1) is a chemical compound with molecular formula C9H10INS and molecular weight 290.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-1,3-benzothiazol-3-ium iodide
Also Known As: 3,6-dimethylbenzothiazole Iodide, 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C9H10INS |
|---|---|
| Molecular Weight | 290.96 g/mol |
| LogP | -0.96178 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.95786 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 89059-12-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[N+](=CS2)C.[I-] |
| InChIKey | OEMIPYYGPZYSET-UHFFFAOYSA-M |
Product Overview
3,6-Dimethyl-1,3-benzothiazol-3-ium iodide (CAS 89059-12-1), with molecular formula C9H10INS and molecular weight 290.96 g/mol. IUPAC: 3,6-dimethyl-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide
Property Insights of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide
The XLogP value of -0.96178 indicates that 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide?
The CAS number of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide is 89059-12-1.
What is the molecular formula of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide?
The molecular formula of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide is C9H10INS.
What is the molecular weight of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide?
The molecular weight of 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide is 290.96 g/mol.
Where can I buy 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide?
You can request a quote for 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-1,3-benzothiazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.